1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol

C12H20N2OS — CID 84736991

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol
SMILESCc1nc(C(O)CC2CCNCC2)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)11(15)7-10-3-5-13-6-4-10/h10-11,13,15H,3-7H2,1-2H3
InChIKeyBHSQXPLFRGMURC-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.18
Rot. Bonds3

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol (PubChem CID 84736991) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol
PubChem CID84736991
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol
SMILESCc1nc(C(O)CC2CCNCC2)sc1C
InChIInChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)11(15)7-10-3-5-13-6-4-10/h10-11,13,15H,3-7H2,1-2H3
InChIKeyBHSQXPLFRGMURC-UHFFFAOYSA-N
XLogP2.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 82513380
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
(4,5-dimethyl-1H-imidazol-2-yl)-piperidin-4-ylmethanol
CID 84734392
4,5-dimethyl-2-(1-piperazin-1-ylbutyl)-1,3-thiazole
CID 63342177
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276
1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 105464466
4,5-dimethyl-2-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,3-thiazole
CID 119932589
[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 103170711
N-[cyclohexyl-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61330809
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119891776

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol (CID 84736991) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol is Cc1nc(C(O)CC2CCNCC2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol?
The InChIKey is BHSQXPLFRGMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-9(2)16-12(14-8)11(15)7-10-3-5-13-6-4-10/h10-11,13,15H,3-7H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol has a molecular weight of 240.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-piperidin-4-ylethanol is sourced from PubChem (CID 84736991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).